4,6-dimethyl-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

• ChemBase ID: 622135
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: c1(N2CC(OCc3ncccc3)CCC2)nc(cc(n1)C)C
• Canonical SMILES: Cc1cc(C)nc(n1)N1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C17H22N4O/c1-13-10-14(2)20-17(19-13)21-9-5-7-16(11-21)22-12-15-6-3-4-8-18-15/h3-4,6,8,10,16H,5,7,9,11-12H2,1-2H3
• InChIKey: JBODDZJNGZZJHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
• IUPAC Traditional name: 4,6-dimethyl-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
• Synonyms: 4,6-dimethyl-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.986559
• LogD (pH = 7.4): 2.1044614
• Log P: 2.1061673
• Molar Refractivity: 86.4681 cm^3
• Polarizability: 32.90843 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.44
• LOG S: -2.16
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 4